4-methoxy-4-methyl-2-pent-2-en-2-yloxane

C12H22O2 — CID 54278231

IUPAC4-methoxy-4-methyl-2-pent-2-en-2-yloxane
SMILESCCC=C(C)C1CC(C)(OC)CCO1
InChIInChI=1S/C12H22O2/c1-5-6-10(2)11-9-12(3,13-4)7-8-14-11/h6,11H,5,7-9H2,1-4H3
InChIKeyROYCDTFTIXONRV-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.93
Rot. Bonds3

About 4-methoxy-4-methyl-2-pent-2-en-2-yloxane

4-methoxy-4-methyl-2-pent-2-en-2-yloxane (PubChem CID 54278231) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-pent-2-en-2-yloxane.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-pent-2-en-2-yloxane
PubChem CID54278231
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name4-methoxy-4-methyl-2-pent-2-en-2-yloxane
SMILESCCC=C(C)C1CC(C)(OC)CCO1
InChIInChI=1S/C12H22O2/c1-5-6-10(2)11-9-12(3,13-4)7-8-14-11/h6,11H,5,7-9H2,1-4H3
InChIKeyROYCDTFTIXONRV-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-pent-2-en-2-yloxane?
The IUPAC name of 4-methoxy-4-methyl-2-pent-2-en-2-yloxane (CID 54278231) is 4-methoxy-4-methyl-2-pent-2-en-2-yloxane.
What is the SMILES notation for 4-methoxy-4-methyl-2-pent-2-en-2-yloxane?
The canonical SMILES for 4-methoxy-4-methyl-2-pent-2-en-2-yloxane is CCC=C(C)C1CC(C)(OC)CCO1.
What is the InChIKey of 4-methoxy-4-methyl-2-pent-2-en-2-yloxane?
The InChIKey is ROYCDTFTIXONRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-6-10(2)11-9-12(3,13-4)7-8-14-11/h6,11H,5,7-9H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-2-pent-2-en-2-yloxane?
4-methoxy-4-methyl-2-pent-2-en-2-yloxane has a molecular weight of 198.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-pent-2-en-2-yloxane is sourced from PubChem (CID 54278231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).